2,3,6-trichloropyridine-4-carbonitrile

C6HCl3N2 — CID 154089690

IUPAC2,3,6-trichloropyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(Cl)c1Cl
InChIInChI=1S/C6HCl3N2/c7-4-1-3(2-10)5(8)6(9)11-4/h1H
InChIKeyDFWSUWDTOFSBOA-UHFFFAOYSA-N
MW207.45 g/mol
LogP2.91
Rot. Bonds

About 2,3,6-trichloropyridine-4-carbonitrile

2,3,6-trichloropyridine-4-carbonitrile (PubChem CID 154089690) has the molecular formula C6HCl3N2 and a molecular weight of 207.45 g/mol. Its IUPAC name is 2,3,6-trichloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2,3,6-trichloropyridine-4-carbonitrile
PubChem CID154089690
Molecular FormulaC6HCl3N2
Molecular Weight207.45 g/mol
Exact Mass205.92
IUPAC Name2,3,6-trichloropyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(Cl)c1Cl
InChIInChI=1S/C6HCl3N2/c7-4-1-3(2-10)5(8)6(9)11-4/h1H
InChIKeyDFWSUWDTOFSBOA-UHFFFAOYSA-N
XLogP2.91
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.45
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3,6-trichloro-4-(2,3,6-trichloro-4-pyridinyl)pyridine
CID 14044309
4-bromo-2,6-dichloropyridine-3-carbonitrile
CID 154809886
3-chloro-2,6-difluoropyridine-4-carbonitrile
CID 133081070
3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130070902
3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile
CID 130070976
6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130071480
2-chloro-6-methylquinoline-4-carbonitrile
CID 83638097
6-chloro-2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130071179
2-chloro-6-iodopyridine-4-carbonitrile
CID 89003814
2,3,5-trichlorobenzonitrile
CID 19800061
2-chloro-5,6-dimethylpyridine-3-carbonitrile
CID 12891106
2,3,6-trichloro-4-(trichloromethyl)pyridine
CID 14512982

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trichloropyridine-4-carbonitrile?
The IUPAC name of 2,3,6-trichloropyridine-4-carbonitrile (CID 154089690) is 2,3,6-trichloropyridine-4-carbonitrile.
What is the SMILES notation for 2,3,6-trichloropyridine-4-carbonitrile?
The canonical SMILES for 2,3,6-trichloropyridine-4-carbonitrile is N#Cc1cc(Cl)nc(Cl)c1Cl.
What is the InChIKey of 2,3,6-trichloropyridine-4-carbonitrile?
The InChIKey is DFWSUWDTOFSBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl3N2/c7-4-1-3(2-10)5(8)6(9)11-4/h1H.
What are the key properties of 2,3,6-trichloropyridine-4-carbonitrile?
2,3,6-trichloropyridine-4-carbonitrile has a molecular weight of 207.45 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trichloropyridine-4-carbonitrile is sourced from PubChem (CID 154089690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).